SCHEMBL8913688

SCHEMBL8913688

CCNC1(C(N)=O)CC[N]CC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.38
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR2 P34972 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13804337 0.86
SCHEMBL24946123 0.80 KDM4E (0.38) CNR1KDM4EKMT2ACNR2
SCHEMBL7870008 0.78 KDM4E (0.59) KDM4EKMT2A
SCHEMBL971440 0.77 KDM4E (0.63) CNR1KDM4EKMT2ACNR2
SCHEMBL12918527 0.76 CNR1 (0.43) CNR1KDM4EKMT2ACNR2
SCHEMBL8443686 0.74 CNR1 (0.42) CNR1KDM4EKMT2ACNR2
SCHEMBL21986166 0.74 CNR1 (0.42) CNR1KDM4EKMT2ACNR2
SCHEMBL7876466 0.73 ALDH1A1 (0.46) KDM4EKMT2A
SCHEMBL12136871 0.73 CNR1 (0.41) CNR1CNR2
SCHEMBL3554211 0.72 KMT2A (0.42) CNR1KDM4EKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP disclosed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO disclosed